BDBM50180143 5-cyclopropylmethyl-3,5-dimethyl-4-hydroxy-5H-thiophen-2-one::CHEMBL200463

SMILES: CC1C(=O)SC(C)(CC2CC2)C1=O

InChI Key: InChIKey=LEEBDVQLFGPRIP-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50180143   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Beta-ketoacyl-ACP synthase III (FabH) (Escherichia coli)	BDBM50180143 (5-cyclopropylmethyl-3,5-dimethyl-4-hydroxy-5H-thio...) Show SMILES CC1C(=O)SC(C)(CC2CC2)C1=O Show InChI InChI=1S/C10H14O2S/c1-6-8(11)10(2,13-9(6)12)5-7-3-4-7/h6-7H,3-5H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibitory activity against FabH from Escherichia coli ANSI				J Med Chem 49: 159-71 (2006) Article DOI: 10.1021/jm050825p BindingDB Entry DOI: 10.7270/Q2NG4RDB
					More data for this Ligand-Target Pair